3-Benzyloxybenzaldehyde - CAS 1700-37-4
Catalog: |
BB012603 |
Product Name: |
3-Benzyloxybenzaldehyde |
CAS: |
1700-37-4 |
Synonyms: |
3-phenylmethoxybenzaldehyde |
IUPAC Name: | 3-phenylmethoxybenzaldehyde |
Description: | 3-Benzyloxybenzaldehyde (CAS# 1700-37-4) is a reactant in the synthesis of novel 7-aminoalkyl-substituted flavonoid derivatives with cholinesterase inhibitory activity, for treatment of Alzheimer's disease. |
Molecular Weight: | 212.24 |
Molecular Formula: | C14H12O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O |
InChI: | InChI=1S/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2 |
InChI Key: | JAICGBJIBWDEIZ-UHFFFAOYSA-N |
Boiling Point: | 180 °C / 0.08 mmHg |
Melting Point: | 55-59 °C |
Purity: | 98 % |
Density: | 1.142 g/cm3 |
Appearance: | White to light beige fine crystalline powder |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00003367 |
LogP: | 3.07810 |
Publication Number | Title | Priority Date |
CN-112321513-A | Heterocyclic compound and preparation method and application thereof | 20201106 |
WO-2021174046-A1 | Gpr40 agonists | 20200228 |
WO-2021174048-A1 | Gpr40 agonists | 20200228 |
JP-2021103957-A | Agricultural water retention material | 20191226 |
JP-2021103958-A | Agricultural water retention material | 20191226 |
PMID | Publication Date | Title | Journal |
11454460 | 20010806 | Benzyloxybenzaldehyde analogues as novel adenylyl cyclase activators | Bioorganic & medicinal chemistry letters |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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